2-[[2-(4-chlorophenyl)-6-propan-2-yl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-6-propan-2-yl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)-6-isopropyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-chlorophenyl)-6-propan-2-yl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-6-propan-2-ylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-6-isopropyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-13(2)15-6-9-19-17(10-15)18(22(28)25(3)12-21(26)27)11-20(24-19)14-4-7-16(23)8-5-14/h4-11,13H,12H2,1-3H3,(H,26,27)